3,4-Bis(diphenylphosphanyl)furan-2,5-dione;carbon monoxide;cobalt | 58919-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 3,4-Bis(diphenylphosphanyl)furan-2,5-dione;carbon monoxide;cobalt
• CAS: 58919-00-9
• 化学式: C₃₁H₂₀CoO₆P₂
• 分子量: 609.437
• InChiKey: HKUOMPZXRBRJMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,4-Bis(diphenylphosphanyl)furan-2,5-dione;carbon monoxide;cobalt 在 iodine 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 Co(CO)3(2,3-bis(diphenylphosphino)maleic anhydride)iodide
  参考文献：
  名称：

  十九电子钴羰基配合物Co(CO)3L2[L2 = 2,3-双(二苯基膦)马来酸酐]的取代反应机理

  摘要：

  取代反应练习曲：膦、亚磷酸盐和碘（L'）；形成复合物 Co(CO) 2 L 2 L'。Cinetique du 1er ordre; les vitesses sont independantes de la conordinat entrant et de sa nature

  DOI：

  10.1021/ja00183a023

文献信息

• Solvent effects on electron delocalization in paramagnetic organometallic complexes: solvent manipulation of the amount of 19-electron character in Co(CO)3L2 (L2 = a chelating phosphine)
  作者：Fei Mao、David R. Tyler、Mitchell R. M. Bruce、Alice E. Bruce、Anne L. Rieger、Philip H. Rieger

  DOI：10.1021/ja00042a019

  日期：1992.7

  Infrared, ESR, and electronic absorption spectroscopic studies are reported on the 18+delta Co(CO)3L2 complex. (L2 is the chelating phosphine ligand 2,3-bis(diphenylphosphino)maleic anhydride. 18+delta complexes are "19-electron complexes" in which the unpaired electron is primarily localized on a ligand.) The spectra are solvent dependent and are interpreted in terms of increased delocalization of the unpaired electron from an L2(pi*) orbital onto the Co(CO)3 portion of the molecule with decreasing solvent polarity. The relationship between the extent of delocalization onto the Co(CO)3 and the substitution reactivity of the molecule was studied. Increased delocalization increases the rate of CO loss (and hence dissociatively activated substitution) because the acceptor molecular orbital on the Co(CO)3 fragment is Co-CO antibonding (k(benzene,25-degrees) = (7.46 +/- 0.04) x 10(-2) s-1; k(CH2Cl2,25-degrees) = (5,47 +/- 0.03) x 10(-3) s-1). These substitution results are an exception to the rule of thumb which states that the lability of M-CO bonds decreases as the nu(C=O) frequencies decrease. An SCF-X-alpha-SW calculation on the Co(CO)3L2' complex (L2' = 2,3-bis(phosphino)maleic anhydride; i.e. L2' is L2 with the phenyl groups replaced by H atoms) confirmed previous ESR spectroscopic results which showed that the SOMO on the Co(CO)3L2 complex is primarily an L2-based pi* orbital.
• Mechanism of the substitution reactions of the nineteen-electron cobalt carbonyl complex Co(CO)3L2[L2 = 2,3-bis(diphenylphosphino)maleic anhydride]
  作者：Fei Mao、David R. Tyler、Doug Keszler

  DOI：10.1021/ja00183a023

  日期：1989.1

  Etude des reactions de substitution par: phosphines, phosphites et iodure (L'); formation de complexes Co(CO) 2 L 2 L'. Cinetique du 1er ordre; les vitesses sont independantes de la concentration du coordinat entrant et de sa nature

  取代反应练习曲：膦、亚磷酸盐和碘（L'）；形成复合物 Co(CO) 2 L 2 L'。Cinetique du 1er ordre; les vitesses sont independantes de la conordinat entrant et de sa nature